N-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-5-yl]methanesulfonamide

Systemtic Name: N-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzothiophen-5-yl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzothiophen-5-yl]-N-methyl-methanesulfonamide CAS Name: N-methyl-N-[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzothiophen-5-yl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]-N-methylmethanesulfonamide Traditional Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzothiophen-5-yl]-N-methyl-methanesulfonamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O3S2/c1-23(30(2,27)28)19-8-9-20-18(14-19)15-21(29-20)22(26)25-12-10-24(11-13-25)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3